1-(2-methyl-4-nitro-phenyl)-3-phenethyl-urea

Systemtic Name: 1-(2-methyl-4-nitro-phenyl)-3-phenethyl-urea Openeye Name: 1-(2-methyl-4-nitro-phenyl)-3-phenethyl-urea CAS Name: 1-(2-methyl-4-nitrophenyl)-3-phenethylurea IUPAC Name: 1-(2-methyl-4-nitrophenyl)-3-phenethylurea Traditional Name: 1-(2-methyl-4-nitro-phenyl)-3-phenethyl-urea Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C16H17N3O3/c1-12-11-14(19(21)22)7-8-15(12)18-16(20)17-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H2,17,18,20)